Chem
J-GLOBAL ID：200907023596224466   Nikkaji number：J2.370.585K

SAG

N-[3-(4-ピリジニル)ベンジル]-N-[4β-(メチルアミノ)シクロヘキサン-1α-イル]-3-クロロベンゾ[b]チオフェン-2-カルボアミド
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C28H28ClN3OS
Molecular formula furigana： C28-H28-CL-N3-O-S
Molecular weight： 490.060
InChI： InChI=1S/C28H28ClN3OS/c1-30-22-9-11-23(12-10-22)32(28(33)27-26(29)24-7-2-3-8-25(24)34-27)18-19-5-4-6-21(17-19)20-13-15-31-16-14-20/h2-8,13-17,22-23,30H,9-12,18H2,1H3/t22-,23-
InChI key： VFSUUTYAEQOIMW-YHBQERECSA-N
SMILES： CN[C@H]1CC[C@@H](CC1)N(Cc1cccc(c1)c1ccncc1)C(=O)c1sc2ccccc2c1Cl
Systematic name  (5)：
  • N-[4β-(メチルアミノ)シクロヘキサン-1α-イル]-N-[3-(4-ピリジニル)ベンジル]-3-クロロベンゾ[b]チオフェン-2-カルボアミド
  • N-[4α-(メチルアミノ)シクロヘキサン-1β-イル]-N-[3-(4-ピリジニル)ベンジル]-3-クロロベンゾ[b]チオフェン-2-カルボアミド
  • N-[3-(4-ピリジニル)ベンジル]-N-[4β-(メチルアミノ)シクロヘキサン-1α-イル]-3-クロロベンゾ[b]チオフェン-2-カルボアミド
  • 3-クロロ-N-{[3-(ピリジン-4-イル)フェニル]メチル}-N-[(1r,4r)-4-(メチルアミノ)シクロヘキシル]-1-ベンゾチオフェン-2-カルボキサミド
  • 3-chloro-N-{[3-(pyridin-4-yl)phenyl]methyl}-N-[(1r,4r)-4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide
Other name (4)：
  • N-[4β-(Methylamino)cyclohexan-1α-yl]-N-[3-(4-pyridinyl)benzyl]-3-chlorobenzo[b]thiophene-2-carboxamide
  • N-[4α-(Methylamino)cyclohexan-1β-yl]-N-[3-(4-pyridinyl)benzyl]-3-chlorobenzo[b]thiophene-2-carboxamide
  • SAG
  • N-[3-(4-Pyridinyl)benzyl]-N-[4β-(methylamino)cyclohexane-1α-yl]-3-chlorobenzo[b]thiophene-2-carboxamide
CAS registry number： 364590-63-6
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